1,3-dimethyl-8-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-(4-methylphenyl)-2-oxoethyl]thio]-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-7-propylpurine-2,6-dione Traditional Name: 8-[[2-keto-2-(p-tolyl)ethyl]thio]-1,3-dimethyl-7-propyl-xanthine Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22N4O3S/c1-5-10-23-15-16(21(3)19(26)22(4)17(15)25)20-18(23)27-11-14(24)13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-4H3